Molecule Details
| InChIKey | SKJCFKSSJBSZHL-DIFFPNOSSA-N |
|---|---|
| Compound Name | N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide |
| Canonical SMILES | Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2n[nH]c(=O)o2)c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.09 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL |
| P23921 | RRM1 | Homo sapiens | Human | PF03477 PF02867 PF00317 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q7LG56 | RRM2B | Homo sapiens | Human | PF00268 | 6.1 | IC50 | ChEMBL |